4-N,6-N-bis(pyridin-4-ylmethylideneamino)pyrimidine-4,6-dicarboxamide

C18H14N8O2 — CID 158525802

IUPAC4-N,6-N-bis(pyridin-4-ylmethylideneamino)pyrimidine-4,6-dicarboxamide
SMILESO=C(NN=Cc1ccncc1)c1cc(C(=O)NN=Cc2ccncc2)ncn1
InChIInChI=1S/C18H14N8O2/c27-17(25-23-10-13-1-5-19-6-2-13)15-9-16(22-12-21-15)18(28)26-24-11-14-3-7-20-8-4-14/h1-12H,(H,25,27)(H,26,28)
InChIKeyHMTOHVQHVLDUNU-UHFFFAOYSA-N
MW374.36 g/mol
LogP0.79
Rot. Bonds6

About 4-N,6-N-bis(pyridin-4-ylmethylideneamino)pyrimidine-4,6-dicarboxamide

4-N,6-N-bis(pyridin-4-ylmethylideneamino)pyrimidine-4,6-dicarboxamide (PubChem CID 158525802) has the molecular formula C18H14N8O2 and a molecular weight of 374.36 g/mol. Its IUPAC name is 4-N,6-N-bis(pyridin-4-ylmethylideneamino)pyrimidine-4,6-dicarboxamide.

Molecular Properties

Compound Name4-N,6-N-bis(pyridin-4-ylmethylideneamino)pyrimidine-4,6-dicarboxamide
PubChem CID158525802
Molecular FormulaC18H14N8O2
Molecular Weight374.36 g/mol
Exact Mass374.12
IUPAC Name4-N,6-N-bis(pyridin-4-ylmethylideneamino)pyrimidine-4,6-dicarboxamide
SMILESO=C(NN=Cc1ccncc1)c1cc(C(=O)NN=Cc2ccncc2)ncn1
InChIInChI=1S/C18H14N8O2/c27-17(25-23-10-13-1-5-19-6-2-13)15-9-16(22-12-21-15)18(28)26-24-11-14-3-7-20-8-4-14/h1-12H,(H,25,27)(H,26,28)
InChIKeyHMTOHVQHVLDUNU-UHFFFAOYSA-N
XLogP0.79
TPSA134.48 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.36
LogP ≤ 50.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

4-N,6-N-bis[(E)-(1-methylpyridin-1-ium-4-yl)methylideneamino]pyrimidine-4,6-dicarboxamide
CID 155517293
1-[(Z)-pyridin-4-ylmethylideneamino]-3-[(E)-pyridin-4-ylmethylideneamino]urea
CID 54600785
N-[[4-[(pyridine-4-carbonylhydrazinylidene)methyl]phenyl]methylideneamino]pyridine-4-carboxamide
CID 1101714
[(E)-pyridin-4-ylmethylideneamino]carbamic acid
CID 19830229
1-methyl-N-(pyridin-4-ylmethylideneamino)pyrazole-3-carboxamide
CID 841387
[(E)-pyridin-4-ylmethylideneamino]carbamic acid;hydrate
CID 88512822
N-[(E)-pyridin-4-ylmethylideneamino]quinoline-2-carboxamide
CID 6906634
4-amino-N-[(Z)-pyridin-4-ylmethylideneamino]benzamide
CID 5391862
3-hydroxy-N-[(E)-pyridin-4-ylmethylideneamino]benzamide
CID 6911445
N-(pyridin-4-ylmethylideneamino)furan-2-carboxamide
CID 678532
3,5-dinitro-N-(pyridin-4-ylmethylideneamino)benzamide
CID 2185358
3-bromo-N-[(E)-pyridin-4-ylmethylideneamino]benzamide
CID 6870510

Frequently Asked Questions

What is the IUPAC name of 4-N,6-N-bis(pyridin-4-ylmethylideneamino)pyrimidine-4,6-dicarboxamide?
The IUPAC name of 4-N,6-N-bis(pyridin-4-ylmethylideneamino)pyrimidine-4,6-dicarboxamide (CID 158525802) is 4-N,6-N-bis(pyridin-4-ylmethylideneamino)pyrimidine-4,6-dicarboxamide.
What is the SMILES notation for 4-N,6-N-bis(pyridin-4-ylmethylideneamino)pyrimidine-4,6-dicarboxamide?
The canonical SMILES for 4-N,6-N-bis(pyridin-4-ylmethylideneamino)pyrimidine-4,6-dicarboxamide is O=C(NN=Cc1ccncc1)c1cc(C(=O)NN=Cc2ccncc2)ncn1.
What is the InChIKey of 4-N,6-N-bis(pyridin-4-ylmethylideneamino)pyrimidine-4,6-dicarboxamide?
The InChIKey is HMTOHVQHVLDUNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14N8O2/c27-17(25-23-10-13-1-5-19-6-2-13)15-9-16(22-12-21-15)18(28)26-24-11-14-3-7-20-8-4-14/h1-12H,(H,25,27)(H,26,28).
What are the key properties of 4-N,6-N-bis(pyridin-4-ylmethylideneamino)pyrimidine-4,6-dicarboxamide?
4-N,6-N-bis(pyridin-4-ylmethylideneamino)pyrimidine-4,6-dicarboxamide has a molecular weight of 374.36 g/mol, XLogP of 0.79, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N,6-N-bis(pyridin-4-ylmethylideneamino)pyrimidine-4,6-dicarboxamide is sourced from PubChem (CID 158525802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).